Home Other Building Blocks 5-Bromo-2-[4-(tert-butyl)phenoxy]aniline

5-Bromo-2-[4-(tert-butyl)phenoxy]aniline

CAS No.:
946700-34-1
Catalog Number:
AG01EB3V
Molecular Formula:
C16H18BrNO
Molecular Weight:
320.2242
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Product Description
Catalog Number:
AG01EB3V
Chemical Name:
5-Bromo-2-[4-(tert-butyl)phenoxy]aniline
CAS Number:
946700-34-1
Molecular Formula:
C16H18BrNO
Molecular Weight:
320.2242
MDL Number:
MFCD08686960
IUPAC Name:
5-bromo-2-(4-tert-butylphenoxy)aniline
InChI:
InChI=1S/C16H18BrNO/c1-16(2,3)11-4-7-13(8-5-11)19-15-9-6-12(17)10-14(15)18/h4-10H,18H2,1-3H3
InChI Key:
YIOGUXOWOUMLHU-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)N)Oc1ccc(cc1)C(C)(C)C
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.057g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
320.23g/mol
Monoisotopic Mass:
319.057g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  
Properties